| SpectraBase Compound ID | xNhQftTZKb |
|---|---|
| InChI | InChI=1S/C8H14O/c1-4-8(5-6-9)7(2)3/h6,8H,2,4-5H2,1,3H3 |
| InChIKey | SKIWEOLPUIYUTK-UHFFFAOYSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J5MFXRf0dtP |
|---|---|
| Name | 3-Ethyl-4-methylpent-4-enal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.104465070 u |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-4-8(5-6-9)7(2)3/h6,8H,2,4-5H2,1,3H3 |
| InChIKey | SKIWEOLPUIYUTK-UHFFFAOYSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C(CC(C(=C)C)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834277 |